N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C17H26N2O6 — CID 69030772

IUPACN-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(C)(C)C(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H26N2O6/c1-17(2,3)13(20)12-25-11-10-24-9-7-18-14(21)6-8-19-15(22)4-5-16(19)23/h4-5H,6-12H2,1-3H3,(H,18,21)
InChIKeyQJMHEWXZLKUVNY-UHFFFAOYSA-N
MW354.40 g/mol
LogP0.07
Rot. Bonds11

About N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 69030772) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID69030772
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC NameN-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(C)(C)C(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H26N2O6/c1-17(2,3)13(20)12-25-11-10-24-9-7-18-14(21)6-8-19-15(22)4-5-16(19)23/h4-5H,6-12H2,1-3H3,(H,18,21)
InChIKeyQJMHEWXZLKUVNY-UHFFFAOYSA-N
XLogP0.07
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 69030772) is N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is CC(C)(C)C(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is QJMHEWXZLKUVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-17(2,3)13(20)12-25-11-10-24-9-7-18-14(21)6-8-19-15(22)4-5-16(19)23/h4-5H,6-12H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 354.40 g/mol, XLogP of 0.07, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 69030772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).